6-(2-methylbutan-2-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-(2-methylbutan-2-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-(1,1-dimethylpropyl)-2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-(2-methylbutan-2-yl)-2-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-oxoheptyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-(2-methylbutan-2-yl)-2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21F13N2O2S MolecularWeight: 612.447882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C21H21F13N2O2S/c1-4-15(2,3)8-5-6-9-10(7-8)39-13(11(9)12(35)37)36-14(38)16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h8H,4-7H2,1-3H3,(H2,35,37)(H,36,38)